7ulk - Revision history

OCA at 09:55, 25 October 2023

2023-10-25T09:55:05Z

←Older revision		Revision as of 09:55, 25 October 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7ulk]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7ULK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7ULK FirstGlance]. <br>		<table><tr><td colspan='2'>[[7ulk]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7ULK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7ULK FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=42C:N,N-DIMETHYL-7H-PURIN-6-AMINE'>42C</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene></td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2.34Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=42C:N,N-DIMETHYL-7H-PURIN-6-AMINE'>42C</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene></td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=7ulk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ulk OCA], [https://pdbe.org/7ulk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ulk RCSB], [https://www.ebi.ac.uk/pdbsum/7ulk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ulk ProSAT]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=7ulk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ulk OCA], [https://pdbe.org/7ulk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ulk RCSB], [https://www.ebi.ac.uk/pdbsum/7ulk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ulk ProSAT]</span></td></tr>
	</table>		</table>

OCA at 07:04, 10 May 2023

2023-05-10T07:04:48Z

←Older revision		Revision as of 07:04, 10 May 2023
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	</div>		</div>
	<div class="pdbe-citations 7ulk" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 7ulk" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Heat Shock Protein structures\|Heat Shock Protein structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 20:27, 12 April 2023

2023-04-12T20:27:04Z

←Older revision		Revision as of 20:27, 12 April 2023
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-	'''Unreleased structure'''

-	~~The entry~~ 7ulk is ~~ON HOLD until Paper~~ Publication	+	==Human TRAP1 NM in complex with 42C==
		+	<StructureSection load='7ulk' size='340' side='right'caption='[[7ulk]], [[Resolution\|resolution]] 2.34Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[7ulk]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7ULK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7ULK FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=42C:N,N-DIMETHYL-7H-PURIN-6-AMINE'>42C</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene></td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=7ulk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ulk OCA], [https://pdbe.org/7ulk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ulk RCSB], [https://www.ebi.ac.uk/pdbsum/7ulk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ulk ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/TRAP1_HUMAN TRAP1_HUMAN] Chaperone that expresses an ATPase activity. Involved in maintaining mitochondrial function and polarization, most likely through stabilization of mitochondrial complex I. Is a negative regulator of mitochondrial respiration able to modulate the balance between oxidative phosphorylation and aerobic glycolysis. The impact of TRAP1 on mitochondrial respiration is probably mediated by modulation of mitochondrial SRC and inhibition of SDHA.<ref>PMID:23525905</ref> <ref>PMID:23564345</ref> <ref>PMID:23747254</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Isoforms of heat shock protein 90 (HSP90) fold oncoproteins that facilitate all 10 hallmarks of cancer. However, its promise as a therapeutic target remains unfulfilled as there is still no FDA-approved drug targeting HSP90 in disease. Among the reasons hindering progress are side effects caused by pan-HSP90 inhibition. Selective targeting of the 4 isoforms is challenging due to high sequence and structural similarity. Surprisingly, while decades of drug discovery efforts have produced almost 400 human HSP90 structures, no single ligand has been structurally characterized across all 4 human isoforms to date, which could reveal structural differences to achieve selectivity. To better understand the HSP90 landscape relevant for ligand binding and design we take a 3-pronged approach. First, we solved the first complete set of structures of a single ligand bound to all 4 human isoforms. This enabled a systematic comparison of how side-chains and water networks respond to ligand binding across isoforms. Second, we expanded our analysis to publicly available, incomplete isoform-ligand series with distinct ligand chemistry. This highlighted general trends of protein and water mobility that differ among isoforms and impact ligand binding. Third, we further probed the Hsp90alpha conformational landscape for accommodating a congeneric series containing the purine scaffold common to HSP90 inhibitors. This revealed how minor ligand modifications flip ligand poses and perturb water and protein conformations. Taken together, this work illustrates how a systematic approach can shed new light on an "old" target and reveal hidden isoform-specific accommodations of congeneric ligands that may be exploited in ligand discovery and design.

-	~~Authors: Stachowski, T.R~~., ~~Nithianantham~~, S., Vanarotti, M., ~~Fischer~~, M.	+	Pan-Hsp90 ligand binding reveals isoform-specific differences in plasticity and water networks.,Stachowski TR, Nithianantham S, Vanarotti M, Lopez K, Fischer M Protein Sci. 2023 Mar 20:e4629. doi: 10.1002/pro.4629. PMID:36938943<ref>PMID:36938943</ref>

-	~~Description~~: ~~Human TRAP1 NM in complex with 42C~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
-	[[Category: ~~Vanarotti, M~~]]	+	<div class="pdbe-citations 7ulk" style="background-color:#fffaf0;"></div>
-	[[Category: Fischer, M]]	+	== References ==
-	[[Category: Nithianantham, S]]	+	<references/>
-	[[Category: Stachowski~~, T.R~~]]	+	__TOC__
		+	</StructureSection>
		+	[[Category: Homo sapiens]]
		+	[[Category: Large Structures]]
		+	[[Category: Fischer M]]
		+	[[Category: Nithianantham S]]
		+	[[Category: Stachowski TR]]
		+	[[Category: Vanarotti M]]

OCA at 11:30, 4 May 2022

2022-05-04T11:30:30Z

←Older revision		Revision as of 11:30, 4 May 2022
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7ulk is ON HOLD	+	The entry 7ulk is ON HOLD until Paper Publication

	Authors: Stachowski, T.R., Nithianantham, S., Vanarotti, M., Fischer, M.		Authors: Stachowski, T.R., Nithianantham, S., Vanarotti, M., Fischer, M.
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	Description: Human TRAP1 NM in complex with 42C		Description: Human TRAP1 NM in complex with 42C
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: Stachowski, T.R]]
	[[Category: Vanarotti, M]]		[[Category: Vanarotti, M]]
	[[Category: Fischer, M]]		[[Category: Fischer, M]]
	[[Category: Nithianantham, S]]		[[Category: Nithianantham, S]]
		+	[[Category: Stachowski, T.R]]

OCA: Protected "7ulk" [edit=sysop:move=sysop]

2022-04-13T08:35:39Z

Protected "7ulk" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:35, 13 April 2022

OCA: New page: '''Unreleased structure''' The entry 7ulk is ON HOLD Authors: Stachowski, T.R., Nithianantham, S., Vanarotti, M., Fischer, M. Description: Human TRAP1 NM in complex with 42C [[Category...

2022-04-13T08:35:38Z

New page: '''Unreleased structure''' The entry 7ulk is ON HOLD Authors: Stachowski, T.R., Nithianantham, S., Vanarotti, M., Fischer, M. Description: Human TRAP1 NM in complex with 42C [[Category...

New page

'''Unreleased structure'''

The entry 7ulk is ON HOLD

Authors: Stachowski, T.R., Nithianantham, S., Vanarotti, M., Fischer, M.

Description: Human TRAP1 NM in complex with 42C
[[Category: Unreleased Structures]]
[[Category: Stachowski, T.R]]
[[Category: Vanarotti, M]]
[[Category: Fischer, M]]
[[Category: Nithianantham, S]]